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Home > Other Heterocycles > 5019-82-9
5019-82-9 | bicyclo[3.2.1]octan-2-one
CAS No: 5019-82-9 Catalog No: AG01C780 MDL No:
Product Description
Catalog Number:
AG01C780
Chemical Name:
bicyclo[3.2.1]octan-2-one
CAS Number:
5019-82-9
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
bicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C8H12O/c9-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2
InChI Key:
SXFPXZSENHPCSH-UHFFFAOYSA-N
SMILES:
O=C1CCC2CC1CC2
EC Number:
225-704-7
NSC Number:
657806
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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